diff -Naur lammps-30Nov08/doc/fix_wiggle.html lammps-1Dec08/doc/fix_wiggle.html --- lammps-30Nov08/doc/fix_wiggle.html 2007-10-10 16:28:11.000000000 -0600 +++ lammps-1Dec08/doc/fix_wiggle.html 2008-12-02 13:50:15.000000000 -0700 @@ -23,7 +23,7 @@

Examples:

-
fix 1 frozen wiggle 3.0 0.5 
+
fix 1 frozen wiggle y 3.0 0.5 
 

Description:

@@ -40,6 +40,11 @@ elapsed time since the fix was specified. The velocity of the atom is set to the derivative of this expression.

+

Note that if a value of A > 0 is specified, each wiggling atom does +not oscillate around its initial position, but moves entirely in the +positive direction relative to its initial position. This is so that +its initial velocity will be 0.0. +

Restart, fix_modify, output, run start/stop, minimize info:

No information about this fix is written to binary restart diff -Naur lammps-30Nov08/doc/fix_wiggle.txt lammps-1Dec08/doc/fix_wiggle.txt --- lammps-30Nov08/doc/fix_wiggle.txt 2007-10-10 16:28:11.000000000 -0600 +++ lammps-1Dec08/doc/fix_wiggle.txt 2008-12-02 13:50:15.000000000 -0700 @@ -20,7 +20,7 @@ [Examples:] -fix 1 frozen wiggle 3.0 0.5 :pre +fix 1 frozen wiggle y 3.0 0.5 :pre [Description:] @@ -37,6 +37,11 @@ elapsed time since the fix was specified. The velocity of the atom is set to the derivative of this expression. +Note that if a value of A > 0 is specified, each wiggling atom does +not oscillate around its initial position, but moves entirely in the +positive direction relative to its initial position. This is so that +its initial velocity will be 0.0. + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff -Naur lammps-30Nov08/src/comm.h lammps-1Dec08/src/comm.h --- lammps-30Nov08/src/comm.h 2008-08-21 07:53:19.000000000 -0600 +++ lammps-1Dec08/src/comm.h 2008-12-02 13:18:37.000000000 -0700 @@ -28,8 +28,10 @@ int procneigh[3][2]; // my 6 neighboring procs int nswap; // # of swaps to perform int need[3]; // procs I need atoms from in each dim - int maxforward_fix,maxreverse_fix; // comm sizes called from Fix,Pair - int maxforward_pair,maxreverse_pair; + int maxforward_fix; // comm sizes called from Fix,Pair + int maxreverse_fix; + int maxforward_pair; + int maxreverse_pair; double cutghost[3]; // cutoffs used for acquiring ghost atoms Comm(class LAMMPS *); diff -Naur lammps-30Nov08/src/fix_wiggle.cpp lammps-1Dec08/src/fix_wiggle.cpp --- lammps-30Nov08/src/fix_wiggle.cpp 2007-10-10 16:22:16.000000000 -0600 +++ lammps-1Dec08/src/fix_wiggle.cpp 2008-12-02 13:47:15.000000000 -0700 @@ -114,7 +114,7 @@ for (int i = 0; i < nlocal; i++) { if (mask[i] & groupbit) { x[i][axis] = original[i] + amplitude - amplitude*cosine; - v[i][axis] = dt * amplitude*omega*sine; + v[i][axis] = amplitude*omega*sine; f[i][axis] = 0.0; } } diff -Naur lammps-30Nov08/src/lammps.cpp lammps-1Dec08/src/lammps.cpp --- lammps-30Nov08/src/lammps.cpp 2008-11-21 09:22:43.000000000 -0700 +++ lammps-1Dec08/src/lammps.cpp 2008-12-01 18:00:38.000000000 -0700 @@ -309,8 +309,8 @@ // when force->pair->gran_history creates fix ?? modify->init(); // modify must come after update, force, atom, domain neighbor->init(); // neighbor must come after force, modify + comm->init(); // comm must come after force, modify, neighbor output->init(); // output must come after domain, force, modify - comm->init(); // comm must come after force, modify timer->init(); } diff -Naur lammps-30Nov08/src/thermo.cpp lammps-1Dec08/src/thermo.cpp --- lammps-30Nov08/src/thermo.cpp 2008-03-17 17:37:19.000000000 -0600 +++ lammps-1Dec08/src/thermo.cpp 2008-12-02 13:18:44.000000000 -0700 @@ -224,7 +224,8 @@ int ivariable; for (i = 0; i < nvariable; i++) { ivariable = input->variable->find(id_variable[i]); - if (ivariable < 0) error->all("Could not find thermo custom variable name"); + if (ivariable < 0) + error->all("Could not find thermo custom variable name"); variables[i] = ivariable; }